Geometry & MOs

Info

ID:	298929
PubChem CID:	117664396
Reduced:	O2C9H12 (2)
Stoich.:	A2B9C12 (2)
Weight, g/mol:	450.251858
ΔH_f, kcal/mol:	-155.49
Dipole, Da:	3.58
IP(EA), eV:	-9.11(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methoxy-3-(3-methylbut-3-enyl)-6-[(E)-2-phenylethenyl]-2-(piperazin-2-ylmethoxy)benzoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)OC)C(=O)OC)/C=C/C2CCCCC2

DOS

IR

Vibrations